N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide

C12H10Cl2N2O4S — CID 84584476

IUPACN-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2O4S/c1-2-9-10(15-6-20-9)12(17)16-21(18,19)11-7(13)4-3-5-8(11)14/h3-6H,2H2,1H3,(H,16,17)
InChIKeyJVLCTUFCFHDHHZ-UHFFFAOYSA-N
MW349.20 g/mol
LogP2.66
Rot. Bonds4

About N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide

N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 84584476) has the molecular formula C12H10Cl2N2O4S and a molecular weight of 349.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
PubChem CID84584476
Molecular FormulaC12H10Cl2N2O4S
Molecular Weight349.20 g/mol
Exact Mass347.97
IUPAC NameN-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2O4S/c1-2-9-10(15-6-20-9)12(17)16-21(18,19)11-7(13)4-3-5-8(11)14/h3-6H,2H2,1H3,(H,16,17)
InChIKeyJVLCTUFCFHDHHZ-UHFFFAOYSA-N
XLogP2.66
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide (CID 84584476) is N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)NS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is JVLCTUFCFHDHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O4S/c1-2-9-10(15-6-20-9)12(17)16-21(18,19)11-7(13)4-3-5-8(11)14/h3-6H,2H2,1H3,(H,16,17).
What are the key properties of N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide?
N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 349.20 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84584476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).